1H-Indole-1-carboxylic acid, 1,1-dimethylethyl ester


Chemical Name: 1H-Indole-1-carboxylic acid, 1,1-dimethylethyl ester
CAS Number: 75400-67-8
Product Number: AG0032P6(AGN-PC-0KW0IO)
Synonyms:
MDL No:
Molecular Formula: C13H15NO2
Molecular Weight: 217.2637

Identification/Properties


Properties
MP:
24-26
BP:
318.2°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Liquid
Refractive Index:
n20/D 1.543(lit.)
Computed Properties
Molecular Weight:
217.268g/mol
XLogP3:
3.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
217.11g/mol
Monoisotopic Mass:
217.11g/mol
Topological Polar Surface Area:
31.2A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
270
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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